Compound Identification
SMILES
[O-]C(=O)C1=CC=C(C=C1)C([O-])=O.CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCC[N+](C)(C)C
InChIKey
InChIKey=LUMXMXCGABMPHY-UHFFFAOYSA-L
Formula
C46H88N2O4
Mass
733.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
- Level 6 P-phthalic acid and derivatives
-
Level 5
Phthalic acid and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Phthalic acid and derivatives
Direct Parent
P-phthalic acid and derivatives
Alternative Parents
Benzoic acids Benzoyl derivatives Tetraalkylammonium salts Carboxylic acid salts Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Not available
Substituents
Para_phthalic_acid - Benzoic acid - Benzoyl - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
External Descriptors
Not available